N-(4-bromanyl-2-fluoranyl-phenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C22H26BrFN2O3S MolecularWeight: 497.420843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F)C)C

InChI

InChI=1S/C22H26BrFN2O3S/c1-13-11-14(2)16(4)21(15(13)3)30(28,29)26-9-7-17(8-10-26)22(27)25-20-6-5-18(23)12-19(20)24/h5-6,11-12,17H,7-10H2,1-4H3,(H,25,27)